Search results for "LEC"

Hexakis(diethylacetamide)iron(II) hexahalorhenate(IV) ionic salts: X-ray structures and magnetic properties

2015

Two novel Fe<sup>II</sup>-Re<sup>IV</sup> compounds of general formula [Fe<sup>II</sup>(DEA)<inf>6</inf>][Re<sup>IV</sup>X<inf>6</inf>] where DEA = diethylacetamide and X = Cl (1) and Br (2) have been prepared and magnetostructurally characterised. Complexes 1 and 2 are isomorphic ionic salts that crystallise in the trigonal crystal system with space group R(-3). The rhenium(IV) ion in 1 and 2 is six-coordinate with six chloro (1) or bromo (2) ligands building a regular octahedral chromophore. The Fe<sup>II</sup> ion is also six-coordinate, and bonded to six oxygen atoms from six DEA molecules. [Fe<sup&gt…

Dynamical learning of a photonics quantum-state engineering process

2021

Abstract. Experimental engineering of high-dimensional quantum states is a crucial task for several quantum information protocols. However, a high degree of precision in the characterization of the noisy experimental apparatus is required to apply existing quantum-state engineering protocols. This is often lacking in practical scenarios, affecting the quality of the engineered states. We implement, experimentally, an automated adaptive optimization protocol to engineer photonic orbital angular momentum (OAM) states. The protocol, given a target output state, performs an online estimation of the quality of the currently produced states, relying on output measurement statistics, and determine…

Use of Density Functional Based Tight Binding Methods in Vibrational Circular Dichroism.

2018

Vibrational circular dichroism (VCD) is a spectroscopic technique used to resolve the absolute configuration of chiral systems. Obtaining a theoretical VCD spectrum requires computing atomic polar and axial tensors on top of the computationally demanding construction of the force constant matrix. In this study we evaluated a VCD model in which all necessary quantities are obtained with density functional based tight binding (DFTB) theory. The analyzed DFTB parametrizations fail at providing accurate vibrational frequencies and electric dipole gradients but yield reasonable normal modes at a fraction of the computational cost of density functional theory (DFT). Thus, by applying DFTB in comp…

Energy transfer in LH2 of Rhodospirillum Molischianum, studied by subpicosecond spectroscopy and configuration interaction exciton calculations.

2001

Two color transient absorption measurements were performed on a LH2 complex from Rhodospirillum molischianum by using several excitation wavelengths (790, 800, 810, and 830 nm) and probing in the spectral region from 790 to 870 nm at room temperature. The observed energy transfer time of ∼1.0 ps from B800 to B850 at room temperature is longer than the corresponding rates in Rhodopseudomonas acidophila and Rhodobacter sphaeroides. We observed variations (0.9-1.2 ps) of B800-850 energy transfer times at different B800 excitation wavelengths, the fastest time (0.9 ps) was obtained with 800 nm excitation. At 830 nm excitation the energy transfer to the B850 ring takes place within 0.5 ps. The m…

Injection and ultrafast regeneration in dye-sensitized solar cells

2014

Injection of an electron from the excited dye molecule to the semiconductor is the initial charge separation step in dye-sensitized solar cells (DSC's). Though the dynamics of the forward injection process has been widely studied, the results reported so far are controversial, especially for complete DSC's. In this work, the electron injection in titanium dioxide (TiO2) films sensitized with ruthenium bipyridyl dyes N3 and N719 was studied both in neat solvent and in a typical iodide/triiodide (I-/I3 -) DSC electrolyte. Transient absorption (TA) spectroscopy was used to monitor both the formation of the oxidized dye and the arrival of injected electrons to the conduction band of TiO2. Emiss…

NightShift: NMR shift inference by general hybrid model training - a framework for NMR chemical shift prediction

2013

Discrete spectral incoherent solitons in nonlinear media with noninstantaneous response

2011

International audience; We show theoretically that nonlinear optical media characterized by a finite response time may support the existence of discrete spectral incoherent solitons. The structure of the soliton consists of three incoherent spectral bands that propagate in frequency space toward the low-frequency components in a discrete fashion and with a constant velocity. Discrete spectral incoherent solitons do not exhibit a confinement in the space-time domain, but exclusively in the frequency domain. The kinetic theory describes in detail all the essential properties of discrete spectral incoherent solitons: A quantitative agreement has been obtained between simulations of the kinetic…

Análisis de la utilidad del algoritmo Gradient Boosting Machine (GBM) en la predicción del fracaso empresarial

2018

Este estudio, novedoso en cuanto a la utilizacion de la metodologia basada en la cultura de los algoritmos, prueba la capacidad de la tecnica ‘Gradient Boosting Machine’ (GBM) en la prediccion de l...

Restricted compositions and permutations: from old to new Gray codes

2011

Any Gray code for a set of combinatorial objects defines a total order relation on this set: x is less than y if and only if y occurs after x in the Gray code list. Let @? denote the order relation induced by the classical Gray code for the product set (the natural extension of the Binary Reflected Gray Code to k-ary tuples). The restriction of @? to the set of compositions and bounded compositions gives known Gray codes for those sets. Here we show that @? restricted to the set of bounded compositions of an interval yields still a Gray code. An n-composition of an interval is an n-tuple of integers whose sum lies between two integers; and the set of bounded n-compositions of an interval si…

Controlled turbulence regime of electron cyclotron resonance ion source for improved multicharged ion performance

2020

Fundamental studies of excitation and non-linear evolution of kinetic instabilities of strongly nonequlibrium hot plasmas confined in open magnetic traps suggest new opportunities for fine-tuning of conventional electron cyclotron resonance (ECR) ion sources. These devices are widely used for the production of particle beams of high charge state ions. Operating the ion source in controlled turbulence regime allows increasing the absorbed power density and therefore the volumetric plasma energy content in the dense part of the discharge surrounded by the ECR surface, which leads to enhanced beam currents of high charge state ions. We report experiments at the ECR ion source at the JYFL accel…